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Dichlorotetrakis[N-Propyl-N-[2-(2,4,6-Trichlorophenoxy)Ethyl]-1H-Imidazole-1-Carboxamide-Κo1]Manganese
CAS: 75747-77-2 | C60H64Cl14MnN12O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75747-77-2
Molecular Formula:
C60H64Cl14MnN12O8
Molecular Mass:
1632.53 g/mol
Names and Synonyms:
Dichlorotetrakis[N-Propyl-N-[2-(2,4,6-Trichlorophenoxy)Ethyl]-1H-Imidazole-1-Carboxamide-Κo1]Manganese
Manganese, dichlorotetrakis[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide-κO1]-
1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-, manganese complex
Dichlorotetrakis[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide-κO1]manganese
Prochloraz manganese(II) complex (4:1)
Prochloraz manganese chloride complex
Identifiers:
SMILES:
CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.[Cl-].[Cl-].[Mn+2]
InChI:
InChI=1S/4C15H16Cl3N3O2.2ClH.Mn/c4*1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;;;/h4*3,5,8-10H,2,4,6-7H2,1H3;2*1H;/q;;;;;;+2/p-2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1632.53 g/mol | CAS Common Chemistry |
| 1632.5279999999998 g/mol | RDKit | |
| 1624.9989896280003 g/mol | RDKit | |
| Canonical SMILES | ClC=1C=C(Cl)C(OCCN(C(=O[Mn+2]([Cl-])([Cl-])(O=C(N2C=NC=C2)N(CCOC=3C(Cl)=CC(Cl)=CC3Cl)CCC)(O=C(N4C=NC=C4)N(CCOC=5C(Cl)=CC(Cl)=CC5Cl)CCC)O=C(N6C=NC=C6)N(CCOC=7C(Cl)=CC(Cl)=CC7Cl)CCC)N8C=NC=C8)CCC)=C(Cl)C1 | CAS Common Chemistry |
| InChI | InChI=1S/4C15H16Cl3N3O2.2ClH.Mn/c4*1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;;;/h4*3,5,8-10H,2,4,6-7H2,1H3;2*1H;/q;;;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=OXOKTPUZOHPXSA-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Dichlorotetrakis[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide-κO1]manganese | CAS Common Chemistry |
| Heavy Atom Count | 95 | RDKit |
| Hydrogen Bond Acceptors | 16 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 24 | RDKit |
| Aromatic Ring Count | 8 | RDKit |
| Topological Polar Surface Area | 189.44000000000005 Ų | RDKit |
| LogP | 12.41509999999998 | RDKit |
| Molar Refractivity | 367.4080000000011 | RDKit |
